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Chemical ID: 6590359
Chemical ID:
6590359
Name [?]:
2-(2-cyanophenoxy)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-13-6-8-14(9-7-13)11-19-17(20)12-21-16-5-3-2-4-15(16)10-18/h2-9H,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,3,7,4,6,20,8,12,2,5,19,14,10,21,9,11,13/E:(6,7)(8,9)/rA:21nCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33781 |
Area: | 517.339 |
Solvation: | -4.59567 |
Coulombic: | -33.2115 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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